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7134-11-4

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Basic Information
CAS No.: 7134-11-4
Name: POTASSIUM GUAIACOLSULFONATE
Article Data: 6
Molecular Structure:
Molecular Structure of 7134-11-4 (POTASSIUM GUAIACOLSULFONATE)
Formula: C7H8O5S
Molecular Weight: 204.204
Synonyms: 1-Hydroxy-2-methoxy-4-phenylsulfonicacid;4-Hydroxy-3-methoxybenzenesulfonic acid;Guaiacolsulfonate;benzenesulfonic acid, 4-hydroxy-3-methoxy-;
EINECS: 230-434-8
Density: 1.516 g/cm3
PSA: 104.27000
LogP: 1.32140
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Specification

The Benzenesulfonic acid,4-hydroxy-3-methoxy-, with the CAS registry number 7134-11-4, has the systematic name of 4-hydroxy-3-methoxybenzenesulfonic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H8O5S.

The characteristics of Benzenesulfonic acid,4-hydroxy-3-methoxy- are as followings: (1)ACD/LogP: -1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.02; (4)ACD/LogD (pH 7.4): -5.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.21 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 44.99 cm3; (15)Molar Volume: 134.6 cm3; (16)Polarizability: 17.83×10-24cm3; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.516 g/cm3. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(OC)c(O)cc1
(2)InChI: InChI=1/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)
(3)InChIKey: QDRCGSIKAHSALR-UHFFFAOYAE